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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03296875

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
6OC(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-
9,12-dienoic acid
A,B2VV40.7
SIMSIMVASTATINA,B,C,D1HW90.74
803LOVASTATINA,B1CQP0.74
E7BA,B3E7B0.72
MVB(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-
7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-
4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-
1-NAPHTHALENOL
A,B,C1YA80.73
11O(TRANS-12,13-EPOXY)-11-HYDROXY-
9(Z)-OCTADECENOIC ACID
A1IK30.7
GGDNONADEC-10-ENOIC ACID 2-[3,4-DIHYDROXY-
6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-TETRAHYDRO-PYRAN-2-YLOXY]-
1-OCTADEC-9-ENOYLOXYMETHYL-ETHYL ESTER
H,L,M2J8C0.79
GGDNONADEC-10-ENOIC ACID 2-[3,4-DIHYDROXY-
6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-TETRAHYDRO-PYRAN-2-YLOXY]-
1-OCTADEC-9-ENOYLOXYMETHYL-ETHYL ESTER
L,M1M3X0.79
SXNSalinixanthinA,B3DDL0.76
RGCREIDISPONGIOLIDE CA2ASP0.72
PIE1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOLA,B,C,D1UW50.7
PIE1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOLA,C,D,E1KB90.7
RCLRICINOLEIC ACIDA2CM40.72
RCLRICINOLEIC ACIDA2CM90.72
RCLRICINOLEIC ACIDA1FK70.72
GMMGLUCOSE MONOMYCOLATEA1UQS0.87
PXI4-{[4-(DIMETHYLAMINO)-3-HYDROXY-
6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-
12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2C6H0.71
PXI4-{[4-(DIMETHYLAMINO)-3-HYDROXY-
6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-
12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2CA00.71
PXI4-{[4-(DIMETHYLAMINO)-3-HYDROXY-
6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-
12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2CD80.71
PXI4-{[4-(DIMETHYLAMINO)-3-HYDROXY-
6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-
12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2VZ70.71
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.7
EAH(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-
7,9,11,14-tetraenoic acid
A3DZT0.7
PG2PROSTAGLANDIN D2A,B1RY00.75
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.7
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.7
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.7
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.7
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.7
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid
A,B2RCL0.72
T25(9Z)-11-[(2R,3S)-3-pentyloxiran-
2-yl]undec-9-enoic acid
A,B3DSK0.72
OLC(2R)-2,3-dihydroxypropyl (9Z)-octadec-
9-enoate
A3D4S0.76
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A2ZB40.73
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A,B1V3V0.73
MRCMUPIROCINA1JZS0.75
MRCMUPIROCINA,T1FFY0.75
MRCMUPIROCINA1QU30.75
MRCMUPIROCINA,T1QU20.75
B7N(1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-
2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-
1-[(octadecanoyloxy)methyl]ethyl (9Z)-
octadec-9-enoate
A3B7N0.7
B7N(1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-
2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-
1-[(octadecanoyloxy)methyl]ethyl (9Z)-
octadec-9-enoate
A3B7Z0.7
114COMPACTINA,B,C,D1HW80.76
LVA(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-
DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-
1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-
1-YL)-3,5-DIHYDROXYHEPTANOIC ACID
A,B1T020.76
PULA2C780.74
E4H(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-
4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-
9-ENE-2,8-DIONE
A,B2HFK0.78
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID
A,B2G5W0.75
PGX7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-
2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-
YL]-HEPT-5-ENOIC ACID
A,B,C,D1DDX0.72
6OB(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-
8,12-dienoic acid
A,B2VV40.71